(E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(4-fluorophenyl)prop-2-en-1-one

Formula:C26H26N2OF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(4-fluorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(4-fluorophenyl)prop-2-en-1-one
MolecularFormula	C26H26N2OF
Smiles	O=C(/C=C/c(cc1)ccc1F)N(CC1)CC[NH+]1C(c1ccccc1)c1ccccc1
InChI	InChI=1S/C26H25FN2O/c27-24-14-11-21(12-15-24)13-16-25(30)28-17-19-29(20-18-28)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-16,26H,17-20H2/p+1
InChIK	BBLNETKIKRXGAT-UHFFFAOYSA-O
TotalMolweight	401.503
Molweight	401.503
MonoisotopicMass	401.202916
CLogP	2.8975
CLogS	-4.095
H Acceptors	3
H Donors	1
TotalSurfaceArea	332.06
Relative PSA	0.10293
PolarSurfaceArea	24.75
Druglikeness	0.55408
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	12
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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